Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21362509 | 0.95 | MAPT (0.45) | HTTMAPTSMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL24199843 | 0.86 | MAPT (0.51) | HTTMAPTSMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL1253373 | 0.85 | MAPT (0.44) | HTTMAPTSMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL21362793 | 0.82 | PKM (0.49) | MAPTSMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL21362512 | 0.81 | MAPT (0.42) | HTTMAPTSMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL20158002 | 0.80 | MAPT (0.50) | HTTMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL1252259 | 0.79 | NPC1 (0.55) | HTTMAPTSMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL11813707 | 0.79 | ACHE (0.56) | HTTMAPTSMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL20643043 | 0.78 | MAPT (0.48) | HTTMAPTSMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL20158003 | 0.78 | ALDH1A1 (0.46) | HTTMAPTALDH1A1NPC1HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3939577-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE | Boehringer Ingelheim International GmbH (DE) | 2022-01-19 | — | — | EP | disclosed |